UCSF

ZINC71536447

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.89 6.81 -107.9 4 2 2 32 234.387 3
Hi High (pH 8-9.5) 1.89 6.5 -34.99 3 2 1 30 233.379 3

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.